N-Desmethyladinazolam
TL;DR: N-Desmethyladinazolam (CAS 37115-33-6) is a chemical compound with molecular formula C18H16ClN5 and molecular weight 337.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)-N-methylmethanamine
Also Known As: N-Desmethyladinazolam, Mono-N-demethyladinazolam, N-Desmethyladinozolam, N-demethyladinazolam, NDMAD
| Molecular Formula | C18H16ClN5 |
|---|---|
| Molecular Weight | 337.11 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.10944 |
| Heavy Atoms | 24 |
| Complexity | 464.0 |
Chemical Identifiers
| CAS Number | 37115-33-6 |
|---|---|
| SMILES | CNCC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4 |
| InChIKey | XPMACCNVZKHGPT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Desmethyladinazolam (CAS 37115-33-6), with molecular formula C18H16ClN5 and molecular weight 337.11 g/mol. IUPAC: 1-(8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)-N-methylmethanamine.
Chemical Property Profile of N-Desmethyladinazolam
Property Insights of N-Desmethyladinazolam
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Desmethyladinazolam. With a topological polar surface area (TPSA) of 55.1 Ų, N-Desmethyladinazolam exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Desmethyladinazolam has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-Desmethyladinazolam?
The CAS number of N-Desmethyladinazolam is 37115-33-6.
What is the molecular formula of N-Desmethyladinazolam?
The molecular formula of N-Desmethyladinazolam is C18H16ClN5.
What is the molecular weight of N-Desmethyladinazolam?
The molecular weight of N-Desmethyladinazolam is 337.11 g/mol.
Where can I buy N-Desmethyladinazolam?
You can request a quote for N-Desmethyladinazolam directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Desmethyladinazolam?
Yes, KEHONG BIO provides custom synthesis services for N-Desmethyladinazolam and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.